1-[4-(2-cycloheptylhydrazinyl)phenyl]-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one

C21H33N3O2 — CID 143806545

IUPAC1-[4-(2-cycloheptylhydrazinyl)phenyl]-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one
SMILESCC(C)(C)OC1CCN(c2ccc(NNC3CCCCCC3)cc2)C1=O
InChIInChI=1S/C21H33N3O2/c1-21(2,3)26-19-14-15-24(20(19)25)18-12-10-17(11-13-18)23-22-16-8-6-4-5-7-9-16/h10-13,16,19,22-23H,4-9,14-15H2,1-3H3
InChIKeyCXNPWNARBBXKEJ-UHFFFAOYSA-N
MW359.51 g/mol
LogP4.25
Rot. Bonds5

About 1-[4-(2-cycloheptylhydrazinyl)phenyl]-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one

1-[4-(2-cycloheptylhydrazinyl)phenyl]-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one (PubChem CID 143806545) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 1-[4-(2-cycloheptylhydrazinyl)phenyl]-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(2-cycloheptylhydrazinyl)phenyl]-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one
PubChem CID143806545
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name1-[4-(2-cycloheptylhydrazinyl)phenyl]-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one
SMILESCC(C)(C)OC1CCN(c2ccc(NNC3CCCCCC3)cc2)C1=O
InChIInChI=1S/C21H33N3O2/c1-21(2,3)26-19-14-15-24(20(19)25)18-12-10-17(11-13-18)23-22-16-8-6-4-5-7-9-16/h10-13,16,19,22-23H,4-9,14-15H2,1-3H3
InChIKeyCXNPWNARBBXKEJ-UHFFFAOYSA-N
XLogP4.25
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-cycloheptylhydrazinyl)phenyl]-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one;toluene
CID 143806544
1-[4-(2-cyclooctyl-2-prop-2-enylhydrazinyl)phenyl]-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one;toluene
CID 143806508
1-(4-bromophenyl)-3-methoxypyrrolidin-2-one
CID 138567201
N-cyclotridecyl-4-(3-hydroxy-2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 146711957
(3S)-1-(4-chlorophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide
CID 94079940
1-cyclopentyl-3-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95051231
N-[4-(3-bromo-2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 63787703
(2S)-N-cycloheptyl-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]propanamide
CID 9291791
N-cyclohexyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 86911687
N-cyclopentyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679166
1-[4-(2-methoxypropan-2-yl)phenyl]-3-[(2-piperidin-1-ylphenyl)methyl]pyrrolidin-2-one
CID 123434168
(3R)-1-[4-(2-methoxypropan-2-yl)phenyl]-3-[(2-piperidin-1-ylphenyl)methyl]pyrrolidin-2-one
CID 123360822

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-cycloheptylhydrazinyl)phenyl]-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one?
The IUPAC name of 1-[4-(2-cycloheptylhydrazinyl)phenyl]-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one (CID 143806545) is 1-[4-(2-cycloheptylhydrazinyl)phenyl]-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(2-cycloheptylhydrazinyl)phenyl]-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(2-cycloheptylhydrazinyl)phenyl]-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one is CC(C)(C)OC1CCN(c2ccc(NNC3CCCCCC3)cc2)C1=O.
What is the InChIKey of 1-[4-(2-cycloheptylhydrazinyl)phenyl]-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one?
The InChIKey is CXNPWNARBBXKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-21(2,3)26-19-14-15-24(20(19)25)18-12-10-17(11-13-18)23-22-16-8-6-4-5-7-9-16/h10-13,16,19,22-23H,4-9,14-15H2,1-3H3.
What are the key properties of 1-[4-(2-cycloheptylhydrazinyl)phenyl]-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one?
1-[4-(2-cycloheptylhydrazinyl)phenyl]-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one has a molecular weight of 359.51 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cycloheptylhydrazinyl)phenyl]-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one is sourced from PubChem (CID 143806545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).